2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

C15H28N2O3S — CID 97228197

IUPAC2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCC(C)[C@H](C)[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-11(2)13(4)21(20)10-14(18)16-12(3)15(19)17-8-6-5-7-9-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t12-,13-,21+/m0/s1
InChIKeyULFROPSOBNCEMA-OYMPBJRDSA-N
MW316.47 g/mol
LogP1.30
Rot. Bonds6

About 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide

2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (PubChem CID 97228197) has the molecular formula C15H28N2O3S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
PubChem CID97228197
Molecular FormulaC15H28N2O3S
Molecular Weight316.47 g/mol
Exact Mass316.18
IUPAC Name2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
SMILESCC(C)[C@H](C)[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O3S/c1-11(2)13(4)21(20)10-14(18)16-12(3)15(19)17-8-6-5-7-9-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t12-,13-,21+/m0/s1
InChIKeyULFROPSOBNCEMA-OYMPBJRDSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide with MolForge

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Related Compounds

2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-(methylamino)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 60945403
2-[(R)-(2-methylphenyl)sulfinyl]-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 97072978
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-(propylamino)acetamide
CID 113408453
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-propan-2-ylacetamide
CID 43402044
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
1,1-diethyl-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 113233582

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The IUPAC name of 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide (CID 97228197) is 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide.
What is the SMILES notation for 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The canonical SMILES for 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is CC(C)[C@H](C)[S@](=O)CC(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
The InChIKey is ULFROPSOBNCEMA-OYMPBJRDSA-N. The full InChI is InChI=1S/C15H28N2O3S/c1-11(2)13(4)21(20)10-14(18)16-12(3)15(19)17-8-6-5-7-9-17/h11-13H,5-10H2,1-4H3,(H,16,18)/t12-,13-,21+/m0/s1.
What are the key properties of 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide?
2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide has a molecular weight of 316.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-[(2S)-3-methylbutan-2-yl]sulfinyl]-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide is sourced from PubChem (CID 97228197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).